Abstract
AbstractWe have investigated the stepwise addition of four growing methyl methacrylate (MMA) radicals to C60 fullerene, taking into account all possible types of the formed adducts. This reaction set is a reliable approximation for understanding the MMA polymerization process in the presence of C60 fullerene. We have analyzed the structures of the fullerene‐MMA adducts and energy parameters of their formation (heat effects and activation enthalpies). We found that up to three MMA growing radicals are favorably attached to C60 as the fullerene‐MMA trisadduct is a stable radical of the allyl type. It is inactive for further radical addition, and the elimination of the hydrogen atom from the growing MMA radical becomes preferable. The effects of steric factors and structures of the products of multiple growing MMA radical additions to C60 on the radical polymerization of MMA in the presence of C60 fullerene are considered.
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